DATE
PAGE
Himi To lot HOMO LONO tox given ole cule
IBenzene
Furan
V) Butene
Axaua Lab: Azgu Lab is aa maleular modeling grashucs
and cug ugn program for wmdow ohera opera ing
Systems geting CHie datedl bunauw
îrngtcalled
Theory
HOMo' Highest Ocapiedl moleculax oxb tal y ha the highest
ONesgy among the maleculas osbital Contahing lectons
Thee eTR fax Qwany frarn nucdeue and losély held by
þaotons
LUMO - The hext highest enexgy obtel that is emy
Loun wnoujed moleculaoY oxaital)
Stgnt{icaneti
tould be ued ueat for oþtcal absoxpton and photo lum (rescence.
visible Tegon poutble lecton {Nans'Hon.
aives informaoh
wwelengihs the Com peunl Can absorh .
+ About fosmation and breakirg y chemital bond
They aed oogan Teactuig
PYRIDINE BUTENE PROPENE FURAN PYROLE COMPOUND THETable
BENZENE NAME OF
for
the
HOMO
TRIGONAL
CSHSN
PLANAR H2C=CHCH2CH3 H3C-HC=CH2
TRIGONAL
PLANAR C4HSO C4H5N C6H6REGULAR
HEXAGON PLANAR,
GEOMETRY
&
LUMO
diagrams
HOMO
of
the
given
compounds
LUMO
(*)QN )Quan
¬)SubstNa
Selec Drawthe Step functton
Saue HONOSele - buton waye Hatte
-fok There
fechthory Geomethy
atomc pintplu tiveAdd
OßSERUATLONS
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T a
deleand It CDen ae moleculn.
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moleule a
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Sity ONION
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chemity metho
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ay a
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mihmiDe he quhat
file nlaye an
Solect tunapliee
that PAGEDATE_
AM4 methocla find mechaniee he.
(calulate he
Exp-2 DATE
PAGE
Table for the ESP Maps of the given Compounds Ain: To hot the Clectro slatHC Ptenbtal Maps
SLNO NAME OF THE ESP MAPS
COMPOUND
1. BENZENE
Therny i
ESP map:ane Eledmo stahle potential Mass
lecttostoC potenHal eneTyy mspu
moleuuby eleeticel potenHal suttarea
PYROLE
hye i'stibution. Can chOw aHRQtie
Tepulaive toTe that fixed charqecl þo tt
3. FURAN in gpace
that QTe soume drstane om Noleulax usfae
Esp nas (an be use Ha Detex m'ne mole caAla s
polaiy tomelaie audty yith EsPMax Valeeg
PROPENE
chage
Show how mole ulee thteTQ At KO'tth eachothey
Dn £sp maps ed colors epresent
electeo st kC þoten tiak Blu' tepnesent more
moTe hegatie
BUTENE
electmostah'k poten Hag
6. PYRIDINE
note culaY Sunfae
!! Selet (Teate Sfare,selet Es
+oess Cal tulate btton.
DATE
Enpenimen -3 PAGE
Aim: To þlot uncons uing Sat able
stnx and cos n
Dange for uing NS Eatel.
Aplication Ueed: Ms Exeel
Theosyi NS eKel is a Soliunre þroqsam (seatd by Nicrosott
Hhat psendheale to Onqanne nmbers Gnd data
fomule and funong.
The iiqnornePrtik
About Seoe and (ogine aTe tiynometC
furtons an angle. The Sine and (asre a an aute ango
in he (ontext
Sind= opposite /hypese
pesiociC cwaue.
A Srne wawe
A cOSine nwe iS Hhe Same 0 the SEre
I 2 un to
iehs
sebet blonk het in wk bok 1
Seled a enter N inanother enteY Sin*
e the ane valus unedex (enclex
cdumn eter os mula.
= Sin (RODIANS (B3)) }Examiple
Sntes an dasg
Nou ingext Scatt þlot3)
Name the
DATE
exp-4 PAGE
Aimi To plot energy uvE {or o qiven quncion 4 distane
for SHM.
Aplitation ued- MS Exeel
Thecry- h smple haimonic motlon(SHM) he eneryy
plo+ " distante shauu Potenhial erevqy) Kineio ernoryy
Qnd total enexg4 Enen44 in a imple hasmonic
is propor ÝOnal tosquare a anpl'tude.
Va n The potental enesgy Vs destdne pof is
anaoic in ane At the mean postton the totdl ehere
purel KineHc (oehile at esteme postonlt þqrely
þoienta ehengyU)= KXormula
UheTe k=oe (osÉat osillato
Total oential enery t Kinetc enet
The poiential ard Kinctc enérgien mrght be same ot
DXteeme posHOng
obtain a - shaed Cuve that s at maximum af
the
Sitps
kype the qoxmala
enter dhd tt's Vao in
(olumn
sele cel C2 htex V ond how
yte /unton {c)
DATE
PAGE.
=(-0:25 )*(cn )2
Selec and
and now selet insert
ertey
Entex now adt the axts daBa arge.
